[7-(2,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C24H22Cl2FN5O — CID 91513973

IUPAC[7-(2,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCC1=Nc2ccnn2C(c2ccc(Cl)cc2Cl)C1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H22Cl2FN5O/c1-15-22(24(33)31-12-10-30(11-13-31)18-5-3-17(27)4-6-18)23(32-21(29-15)8-9-28-32)19-7-2-16(25)14-20(19)26/h2-9,14,22-23H,10-13H2,1H3
InChIKeyAJOJCKMEUYOPBY-UHFFFAOYSA-N
MW486.38 g/mol
LogP4.99
Rot. Bonds3

About [7-(2,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[7-(2,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 91513973) has the molecular formula C24H22Cl2FN5O and a molecular weight of 486.38 g/mol. Its IUPAC name is [7-(2,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[7-(2,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID91513973
Molecular FormulaC24H22Cl2FN5O
Molecular Weight486.38 g/mol
Exact Mass485.12
IUPAC Name[7-(2,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCC1=Nc2ccnn2C(c2ccc(Cl)cc2Cl)C1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H22Cl2FN5O/c1-15-22(24(33)31-12-10-30(11-13-31)18-5-3-17(27)4-6-18)23(32-21(29-15)8-9-28-32)19-7-2-16(25)14-20(19)26/h2-9,14,22-23H,10-13H2,1H3
InChIKeyAJOJCKMEUYOPBY-UHFFFAOYSA-N
XLogP4.99
TPSA53.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.38
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[7-[4-(dimethylamino)phenyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 91252132
[7-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 91416850
methyl 4-[6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-7-yl]benzoate
CID 90962454
[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(4-nitrophenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 91149810
[7-(2,3-dichlorophenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 90736568
[7-(4-butoxyphenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 91247122
[7-(2,3-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 91501772
[7-(4-chlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 90887296
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 91592919
[(7R)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135960824
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 90955731
7-(2,3-dichlorophenyl)-5-methyl-2-oxo-6-(4-phenylpiperazine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide
CID 91463826

Frequently Asked Questions

What is the IUPAC name of [7-(2,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [7-(2,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 91513973) is [7-(2,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [7-(2,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [7-(2,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is CC1=Nc2ccnn2C(c2ccc(Cl)cc2Cl)C1C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [7-(2,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is AJOJCKMEUYOPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2FN5O/c1-15-22(24(33)31-12-10-30(11-13-31)18-5-3-17(27)4-6-18)23(32-21(29-15)8-9-28-32)19-7-2-16(25)14-20(19)26/h2-9,14,22-23H,10-13H2,1H3.
What are the key properties of [7-(2,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[7-(2,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 486.38 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 91513973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).